Journal
JOURNAL OF MATERIALS CHEMISTRY C
Volume 6, Issue 31, Pages 8435-8443Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8tc00507a
Keywords
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Funding
- China Scholarship Council [201606460040]
- National Key RD Plan [2016YFB0700500]
- 111 project [B170003]
- Singapore A*STAR 2D PHAROS project [SERC 1527000012]
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Bipolar magnetic semiconductors (BMS) are promising for applications in spintronic devices and quantum computers as 100% spin polarized currents with reversible spin direction can be easily controlled by a gate voltage in such materials. Herein, we perform first-principles calculations to investigate the structural and electronic properties of intrinsic defects in monolayer half-semiconductor CrSiTe3. Our calculations show that Cr-Si or Si-Cr antisite defects which are thermodynamically dominating in CrSiTe3 can trigger the bipolar magnetic property in CrSiTe3. These BMS characters are robust and survive under a large applied external biaxial tensile strain and electric field. Our results demonstrate a new path to design BMS materials by defect engineering, promoting the applications of two-dimensional magnetic materials in spintronics.
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